thiomorpholin-4-yl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone

C12H19F3N2OS — CID 87019770

IUPACthiomorpholin-4-yl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(CC(F)(F)F)CC1)N1CCSCC1
InChIInChI=1S/C12H19F3N2OS/c13-12(14,15)9-16-3-1-10(2-4-16)11(18)17-5-7-19-8-6-17/h10H,1-9H2
InChIKeyWIUYXWKAGLMYKD-UHFFFAOYSA-N
MW296.36 g/mol
LogP1.84
Rot. Bonds2

About thiomorpholin-4-yl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone

thiomorpholin-4-yl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone (PubChem CID 87019770) has the molecular formula C12H19F3N2OS and a molecular weight of 296.36 g/mol. Its IUPAC name is thiomorpholin-4-yl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Namethiomorpholin-4-yl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
PubChem CID87019770
Molecular FormulaC12H19F3N2OS
Molecular Weight296.36 g/mol
Exact Mass296.12
IUPAC Namethiomorpholin-4-yl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(CC(F)(F)F)CC1)N1CCSCC1
InChIInChI=1S/C12H19F3N2OS/c13-12(14,15)9-16-3-1-10(2-4-16)11(18)17-5-7-19-8-6-17/h10H,1-9H2
InChIKeyWIUYXWKAGLMYKD-UHFFFAOYSA-N
XLogP1.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxamide
CID 94512781
cyclobutyl-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 78870570
piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61259794
cycloheptyl(thiomorpholin-4-yl)methanone
CID 71934333
cyclopropyl(1,4-thiazepan-4-yl)methanone
CID 60773784
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357912
pyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 63005475
4-(thiomorpholine-4-carbonyl)piperidine-1-sulfonamide
CID 47351910
[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
CID 86905423
azepan-1-yl-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methanone
CID 110932465
N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111085552
N-ethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 51077622

Frequently Asked Questions

What is the IUPAC name of thiomorpholin-4-yl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
The IUPAC name of thiomorpholin-4-yl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone (CID 87019770) is thiomorpholin-4-yl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone.
What is the SMILES notation for thiomorpholin-4-yl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
The canonical SMILES for thiomorpholin-4-yl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone is O=C(C1CCN(CC(F)(F)F)CC1)N1CCSCC1.
What is the InChIKey of thiomorpholin-4-yl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
The InChIKey is WIUYXWKAGLMYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2OS/c13-12(14,15)9-16-3-1-10(2-4-16)11(18)17-5-7-19-8-6-17/h10H,1-9H2.
What are the key properties of thiomorpholin-4-yl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
thiomorpholin-4-yl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone has a molecular weight of 296.36 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholin-4-yl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 87019770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).